N-(3-ethoxy-2,2-dimethylcyclobutyl)-N',N'-diethylpropane-1,3-diamine

C15H32N2O — CID 64851694

IUPACN-(3-ethoxy-2,2-dimethylcyclobutyl)-N',N'-diethylpropane-1,3-diamine
SMILESCCOC1CC(NCCCN(CC)CC)C1(C)C
InChIInChI=1S/C15H32N2O/c1-6-17(7-2)11-9-10-16-13-12-14(18-8-3)15(13,4)5/h13-14,16H,6-12H2,1-5H3
InChIKeyQRLVERLQBCFXQC-UHFFFAOYSA-N
MW256.43 g/mol
LogP2.51
Rot. Bonds9

About N-(3-ethoxy-2,2-dimethylcyclobutyl)-N',N'-diethylpropane-1,3-diamine

N-(3-ethoxy-2,2-dimethylcyclobutyl)-N',N'-diethylpropane-1,3-diamine (PubChem CID 64851694) has the molecular formula C15H32N2O and a molecular weight of 256.43 g/mol. Its IUPAC name is N-(3-ethoxy-2,2-dimethylcyclobutyl)-N',N'-diethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(3-ethoxy-2,2-dimethylcyclobutyl)-N',N'-diethylpropane-1,3-diamine
PubChem CID64851694
Molecular FormulaC15H32N2O
Molecular Weight256.43 g/mol
Exact Mass256.25
IUPAC NameN-(3-ethoxy-2,2-dimethylcyclobutyl)-N',N'-diethylpropane-1,3-diamine
SMILESCCOC1CC(NCCCN(CC)CC)C1(C)C
InChIInChI=1S/C15H32N2O/c1-6-17(7-2)11-9-10-16-13-12-14(18-8-3)15(13,4)5/h13-14,16H,6-12H2,1-5H3
InChIKeyQRLVERLQBCFXQC-UHFFFAOYSA-N
XLogP2.51
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.43
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxy-2,2-dimethylcyclobutyl)-N',N'-diethylpropane-1,3-diamine?
The IUPAC name of N-(3-ethoxy-2,2-dimethylcyclobutyl)-N',N'-diethylpropane-1,3-diamine (CID 64851694) is N-(3-ethoxy-2,2-dimethylcyclobutyl)-N',N'-diethylpropane-1,3-diamine.
What is the SMILES notation for N-(3-ethoxy-2,2-dimethylcyclobutyl)-N',N'-diethylpropane-1,3-diamine?
The canonical SMILES for N-(3-ethoxy-2,2-dimethylcyclobutyl)-N',N'-diethylpropane-1,3-diamine is CCOC1CC(NCCCN(CC)CC)C1(C)C.
What is the InChIKey of N-(3-ethoxy-2,2-dimethylcyclobutyl)-N',N'-diethylpropane-1,3-diamine?
The InChIKey is QRLVERLQBCFXQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O/c1-6-17(7-2)11-9-10-16-13-12-14(18-8-3)15(13,4)5/h13-14,16H,6-12H2,1-5H3.
What are the key properties of N-(3-ethoxy-2,2-dimethylcyclobutyl)-N',N'-diethylpropane-1,3-diamine?
N-(3-ethoxy-2,2-dimethylcyclobutyl)-N',N'-diethylpropane-1,3-diamine has a molecular weight of 256.43 g/mol, XLogP of 2.51, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxy-2,2-dimethylcyclobutyl)-N',N'-diethylpropane-1,3-diamine is sourced from PubChem (CID 64851694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).